6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde

C11H19NO — CID 167076162

IUPAC6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde
SMILESCC(C)C1C2C(CN1C=O)C2(C)C
InChIInChI=1S/C11H19NO/c1-7(2)10-9-8(11(9,3)4)5-12(10)6-13/h6-10H,5H2,1-4H3
InChIKeyFPXTZTMLNFYQIG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.76
Rot. Bonds2

About 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde

6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde (PubChem CID 167076162) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde
PubChem CID167076162
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde
SMILESCC(C)C1C2C(CN1C=O)C2(C)C
InChIInChI=1S/C11H19NO/c1-7(2)10-9-8(11(9,3)4)5-12(10)6-13/h6-10H,5H2,1-4H3
InChIKeyFPXTZTMLNFYQIG-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
CID 170300237
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde
CID 159126405
4-cyclobutyl-3-(3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-yl)butan-2-one
CID 142268271
(1R,2S,5S)-3-[(2S)-2-acetamido-2-cyclopropylacetyl]-6,6-dimethyl-N-[(2S)-1-oxopropan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170200795
(3R)-1-[(1R,2R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclopropyl)oxybutan-1-one
CID 167521349
(1S)-6,6-dichloro-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 134421953
CID 10450064
CID 10450064
methyl (2S)-3-chloro-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 58605883
1-formyl-4-propan-2-ylpyrrolidine-2-carbonitrile
CID 176610756
3-iodo-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
CID 174292993

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde (CID 167076162) is 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde is CC(C)C1C2C(CN1C=O)C2(C)C.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde?
The InChIKey is FPXTZTMLNFYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)10-9-8(11(9,3)4)5-12(10)6-13/h6-10H,5H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde?
6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane-3-carbaldehyde is sourced from PubChem (CID 167076162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).